N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

C19H14ClF3N2O2S — CID 2800731

IUPACN-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H14ClF3N2O2S/c20-17-11-15(19(21,22)23)12-24-18(17)25(13-14-7-3-1-4-8-14)28(26,27)16-9-5-2-6-10-16/h1-12H,13H2
InChIKeyYIXMUAOMXLAEIN-UHFFFAOYSA-N
MW426.85 g/mol
LogP5.15
Rot. Bonds5

About N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 2800731) has the molecular formula C19H14ClF3N2O2S and a molecular weight of 426.85 g/mol. Its IUPAC name is N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID2800731
Molecular FormulaC19H14ClF3N2O2S
Molecular Weight426.85 g/mol
Exact Mass426.04
IUPAC NameN-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H14ClF3N2O2S/c20-17-11-15(19(21,22)23)12-24-18(17)25(13-14-7-3-1-4-8-14)28(26,27)16-9-5-2-6-10-16/h1-12H,13H2
InChIKeyYIXMUAOMXLAEIN-UHFFFAOYSA-N
XLogP5.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.85
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (CID 2800731) is N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is YIXMUAOMXLAEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2S/c20-17-11-15(19(21,22)23)12-24-18(17)25(13-14-7-3-1-4-8-14)28(26,27)16-9-5-2-6-10-16/h1-12H,13H2.
What are the key properties of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 426.85 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 2800731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).